Sr(Tc2Ge)2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3202503 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Sr(Tc2Ge)2

MP-ID

mp-3202503

Elements

Sites

Density

8.1392

g/cm³

Volume

127.49

Å³

Cell a

7.5560

Cell b

7.5560

Cell c

4.1885

α Angle

90.00

β Angle

90.00

γ Angle

147.78

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
12.19	7.2593	76.9	(1,-1,0)
21.21	4.1885	2.5	(0,0,1)
22.07	4.0283	1.6	(1,0,0)
24.53	3.6297	6.9	(2,-2,0)
28.16	3.1690	7.7	(2,-1,0)
30.80	2.9034	8.7	(1,0,1)
32.65	2.7430	16.6	(2,-2,1)
35.52	2.5272	100.0	(2,-1,1)
37.68	2.3872	8.0	(3,-2,0)
37.68	2.3872	8.0	(2,-3,0)
43.15	2.0965	40.4	(1,1,0)
43.18	2.0953	9.7	(3,-3,1)
43.20	2.0943	40.3	(0,0,2)
43.64	2.0740	80.3	(3,-2,1)
45.01	2.0142	2.8	(2,0,0)
45.01	2.0142	2.8	(0,2,0)
45.05	2.0122	5.6	(1,-1,2)
49.00	1.8591	2.3	(4,-3,0)
49.00	1.8591	2.3	(3,-4,0)
50.27	1.8148	3.4	(4,-4,0)
50.30	1.8140	1.9	(2,-2,2)
52.37	1.7472	2.7	(2,-1,2)
53.96	1.6992	22.5	(4,-3,1)
55.14	1.6657	3.6	(3,-1,1)

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Energy Properties

Formation Energy/atom

-0.29564

eV/atom

Energy/atom

-21.25968

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.2597

eV/atom

Volume/atom

18.21

Å³

c/a Ratio

0.5543

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tc · 0.571

Element Family

N/A

Solute Fraction

0.429

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.536

Family

Tc-rich Multi-Component

Matrix Element

Tc · 0.571

Related Tasks

Related computation task IDs (1)

aaahaflf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202503

Reference Citation

The crystal structure and related material properties of Sr(Tc2Ge)2 were obtained from the Materials Project database (MP-ID: mp-3202503, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_Sr(Tc2Ge)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55600991
_cell_length_b   7.55600926
_cell_length_c   4.18852441
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.78288841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(Tc2Ge)2
_chemical_formula_sum   'Sr1 Tc4 Ge2'
_cell_volume   127.49064979
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc1  1  0.70196425  0.29803775  0.00000000  1.0
  Tc  Tc2  1  0.29803775  0.70196425  0.00000000  1.0
  Tc  Tc3  1  0.79925689  0.20074411  0.49999900  1.0
  Tc  Tc4  1  0.20074411  0.79925689  0.49999900  1.0
  Ge  Ge5  1  0.59216925  0.40783275  0.49999900  1.0
  Ge  Ge6  1  0.40783275  0.59216925  0.49999900  1.0

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